Alternatives and similar repositories for Geo-DEG

Users that are interested in Geo-DEG are comparing it to the libraries listed below

• SheffieldChemoinformatics / molsg

  View on GitHub
  ☆11Jan 21, 2019Updated 7 years ago
• MoseleyBioinformaticsLab / pdb_eda

  View on GitHub
  A Python tool for parsing and analyzing electron density maps data available from the worldwide Protein Data Bank
  ☆12Sep 28, 2023Updated 2 years ago
• jeffrichardchemistry / pyCheckmol

  View on GitHub
  Application for detecting functional groups of a molecules.
  ☆17Jul 17, 2023Updated 2 years ago
• dkoes / conformer_analysis

  View on GitHub
  ☆18Aug 5, 2023Updated 2 years ago
• kamerlinlab / KIN

  View on GitHub
  Repo for the publication titled: "Key Interaction Networks: Identifying Evolutionarily Conserved Non-Covalent Interaction Networks Across…
  ☆18Nov 14, 2023Updated 2 years ago
• seanchas116 / node-tflite

  View on GitHub
  TensorFlow Lite bindings for Node.js
  ☆16Jan 6, 2023Updated 3 years ago
• pfizer-opensource / transform-molecules

  View on GitHub
  ☆17Feb 13, 2023Updated 3 years ago
• Narsil / hf-chat

  View on GitHub
  ☆27Dec 13, 2024Updated last year
• atomicarchitects / symphony

  View on GitHub
  [ICLR'24] Symphony: Symmetry-Equivariant Point-Centered Spherical Harmonics for Molecule Generation
  ☆28Feb 24, 2025Updated 11 months ago
• gmh14 / data_efficient_grammar

  View on GitHub
  [ICLR 2022] Data-Efficient Graph Grammar Learning for Molecular Generation
  ☆99Aug 29, 2023Updated 2 years ago
• brianhie / uncertainty

  View on GitHub
  Learning with uncertainty for biological discovery and design
  ☆34Mar 24, 2023Updated 2 years ago
• Honza-R / NCIAtlas

  View on GitHub
  Computational chemistry benchmark data sets for non-covalent interactions
  ☆29Jan 13, 2025Updated last year
• HySonLab / Ligand_Generation

  View on GitHub
  Target-aware Variational Auto-encoders for Ligand Generation with Multimodal Protein Representation Learning
  ☆32May 17, 2024Updated last year
• CCBatIIT / AlGDock

  View on GitHub
  Molecular docking with Alchemical Interaction Grids
  ☆30Nov 6, 2025Updated 3 months ago
• proteinphysiologylab / frustratometeR

  View on GitHub
  ☆39Jun 25, 2025Updated 7 months ago
• CBIIT / KDS

  View on GitHub
  KDS software for Kinase Drug Selectivity
  ☆11Jun 8, 2023Updated 2 years ago
• Banking-Analytics-Lab / DynamicGraphLearning

  View on GitHub
  Code used in Tiukhova et al. (2022). Influencer Detection with Dynamic Graph Neural Networks. TGL@Neurips 2022.
  ☆10Feb 9, 2023Updated 3 years ago
• jpdong-xjtu / DAMap

  View on GitHub
  [ICCV2025] DAMap: Distance-aware MapNet for High Quality HD Map Construction
  ☆23Nov 21, 2025Updated 2 months ago
• cxfjiang / MolBERT

  View on GitHub
  ☆13Sep 14, 2021Updated 4 years ago
• YimingYang23 / TopoStreamer

  View on GitHub
  This is the official project repository for "TopoStreamer: Temporal Lane Segment Topology Reasoning in Autonomous Driving"
  ☆17Jul 31, 2025Updated 6 months ago
• vgsatorras / probai

  View on GitHub
  Deep Generative Models: Diffusion Models for Molecule Generation
  ☆10Jun 17, 2024Updated last year
• richie-live / SAH-Drive

  View on GitHub
  Code for ICML 2025: SAH-Drive: A Scenario-Aware Hybrid Planner for Closed-Loop Vehicle Trajectory Generation
  ☆17Jun 21, 2025Updated 7 months ago
• thejonaslab / vonmises-icml-2023

  View on GitHub
  ☆10Jun 24, 2023Updated 2 years ago
• aravindhnivas / ChemXploreML

  View on GitHub
  Machine learning desktop application for molecular property prediction and analysis
  ☆21Aug 30, 2025Updated 5 months ago
• isayevlab / CLEO

  View on GitHub
  ☆10Feb 3, 2025Updated last year
• lamalab-org / chemlift

  View on GitHub
  Language-interfaced fine-tuning for chemistry
  ☆46Nov 30, 2023Updated 2 years ago
• HassounLab / MADGEN

  View on GitHub
  MASS-SPEC ATTENDS TO DE NOVO MOLECULAR GENERATION
  ☆20Sep 23, 2025Updated 4 months ago
• pykeen / ranking-metrics-manuscript

  View on GitHub
  📐 Results for the Ranking Metrics submission @ GLB 2022
  ☆10Apr 6, 2022Updated 3 years ago
• LUOyk1999 / Molecular-homology

  View on GitHub
  [NeurIPS 2023] Implementation of "Improving Self-supervised Molecular Representation Learning using Persistent Homology"
  ☆12Nov 16, 2023Updated 2 years ago
• Zhendong-Wang / Probabilistic-Conformal-Prediction

  View on GitHub
  Official Python implementation for paper: Probabilistic Conformal Prediction Using Conditional Random Samples
  ☆10Jul 8, 2022Updated 3 years ago
• joewah / PheSAExamples

  View on GitHub
  ☆12Jul 5, 2024Updated last year
• allydunham / aa_subtypes

  View on GitHub
  Code for the MSB publication: Exploring amino acid functions and positional subtypes in a deep mutational landscape
  ☆10Jun 11, 2022Updated 3 years ago
• eigenlucy / micromppt

  View on GitHub
  800mV-5.5Vin <5W high efficiency MPPT battery charger with autonomous perturb and observe set point adjustment
  ☆12Sep 6, 2025Updated 5 months ago
• luo-lorry / conformal-load-forecasting

  View on GitHub
  ☆14Mar 3, 2025Updated 11 months ago
• fimrie / DenseFS

  View on GitHub
  ☆11Sep 2, 2024Updated last year
• molinfo-vienna / GRADE

  View on GitHub
  This reposatory includes all scripts necessary to calculate the GRAil-based DEscriptor (GRADE) and the eXtended GRAil-based DEscriptor (X…
  ☆13Jan 23, 2025Updated last year
• rajansagarwal / observe

  View on GitHub
  cursor can now read your terminal in realtime
  ☆21Sep 14, 2025Updated 5 months ago
• jeffrichardchemistry / molbokeh

  View on GitHub
  A new python package to visualize molecules in dots hover
  ☆13Feb 15, 2024Updated 2 years ago
• ag-warscheid / autoprot

  View on GitHub
  autoprot provides standardised, fast, and reliable proteomics data analysis while ensuring a high customisability needed to tailor the an…
  ☆10Jan 28, 2026Updated 2 weeks ago